8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

C20H21FN4O3 — CID 10134609

IUPAC8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2C1CC1
InChIInChI=1S/C20H21FN4O3/c1-11-8-12(21)2-5-15(11)18-16-6-7-17(28)25(14-3-4-14)19(16)24-20(23-18)22-13(9-26)10-27/h2,5-8,13-14,26-27H,3-4,9-10H2,1H3,(H,22,23,24)
InChIKeyCUXRAPJKMCMPNT-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.01
Rot. Bonds6

About 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10134609) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID10134609
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2C1CC1
InChIInChI=1S/C20H21FN4O3/c1-11-8-12(21)2-5-15(11)18-16-6-7-17(28)25(14-3-4-14)19(16)24-20(23-18)22-13(9-26)10-27/h2,5-8,13-14,26-27H,3-4,9-10H2,1H3,(H,22,23,24)
InChIKeyCUXRAPJKMCMPNT-UHFFFAOYSA-N
XLogP2.01
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 10134609) is 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2C1CC1.
What is the InChIKey of 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CUXRAPJKMCMPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-11-8-12(21)2-5-15(11)18-16-6-7-17(28)25(14-3-4-14)19(16)24-20(23-18)22-13(9-26)10-27/h2,5-8,13-14,26-27H,3-4,9-10H2,1H3,(H,22,23,24).
What are the key properties of 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 384.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10134609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).